Geometry & MOs

Info

ID:	87387
PubChem CID:	49894442
Reduced:	NSO2H19C21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	541.051749
ΔH_f, kcal/mol:	-21.63
Dipole, Da:	3.02
IP(EA), eV:	-9.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-6-ethoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C(=C/C3=CC=CC=C3)/C)/SC2=O

DOS

IR

Vibrations